Structure of PDB 4yka Chain B Binding Site BS01

Receptor Information
>4yka Chain B (length=83) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPKLYKVMLLNDDYTPREFVTVVLKAVFRMSEDTGRRVMMTAHRFGSAVV
VVCERDIAETKAKEATDLGKEAGFPLMFTTEPE
Ligand information
Ligand IDTYC
InChIInChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1
InChIKeyPQFMNVGMJJMLAE-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)N)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(N)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)N)N)O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(N)=O
ACDLabs 10.04O=C(N)C(N)Cc1ccc(O)cc1
FormulaC9 H12 N2 O2
NameL-TYROSINAMIDE
ChEMBL
DrugBankDB03380
ZINCZINC000004899513
PDB chain4yka Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4yka Structural Basis of an N-Degron Adaptor with More Stringent Specificity.
Resolution2.801 Å
Binding residue
(original residue number in PDB)		L28 L29 N30 D31 T34 R36 V39 M58 A61 H62
Binding residue
(residue number reindexed from 1)		L9 L10 N11 D12 T15 R17 V20 M39 A42 H43
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006508 proteolysis
GO:0030163 protein catabolic process

View graph for
Biological Process
External links
PDB RCSB:4yka, PDBe:4yka, PDBj:4yka
PDBsum4yka
PubMed26805523
UniProtQ8UD95|CLPS2_AGRFC ATP-dependent Clp protease adapter protein ClpS 2 (Gene Name=clpS2)

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